CID 138962074

2442597-57-9

Structural Information

Molecular Formula
C12H14ClN3O3
SMILES
CC(C)(C)OC(=O)N1C2=CC(=C(N=C2C=N1)Cl)OC
InChI
InChI=1S/C12H14ClN3O3/c1-12(2,3)19-11(17)16-8-5-9(18-4)10(13)15-7(8)6-14-16/h5-6H,1-4H3
InChIKey
PQNDIMUAHOCPSB-UHFFFAOYSA-N
Compound name
tert-butyl 5-chloro-6-methoxypyrazolo[4,3-b]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

283.07236 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07964 162.3
[M+Na]+ 306.06158 174.6
[M-H]- 282.06508 164.2
[M+NH4]+ 301.10618 178.8
[M+K]+ 322.03552 171.1
[M+H-H2O]+ 266.06962 155.4
[M+HCOO]- 328.07056 177.5
[M+CH3COO]- 342.08621 197.4
[M+Na-2H]- 304.04703 167.5
[M]+ 283.07181 171.0
[M]- 283.07291 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe